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BDBM50345030 ((R)-4-(3-((2R,3S,5R,6S)-4-(dodecyloxy)-2,3,5,6-tetrakis(4-isopropylbenzyloxy)cyclohexyloxy)prop-1-ynyl)-1-(hydroxymethyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)methyl 2-tert-butyl-3,3-dimethylbutanoate::CHEMBL1778825

SMILES: CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccc(cc2)C(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@@H]1OCc1ccc(cc1)C(C)C

InChI Key: InChIKey=SNJPDTAJXOWZJF-XHAVFVFDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345030   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protein kinase C alpha type


(Homo sapiens (Human))		BDBM50345030
PNG
(((R)-4-(3-((2R,3S,5R,6S)-4-(dodecyloxy)-2,3,5,6-te...)
Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccc(cc2)C(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@@H]1OCc1ccc(cc1)C(C)C |r|
Show InChI InChI=1S/C81H112O11/c1-16-17-18-19-20-21-22-23-24-25-47-85-70-72(87-49-59-31-39-63(40-32-59)55(2)3)74(89-51-61-35-43-65(44-36-61)57(6)7)71(75(90-52-62-37-45-66(46-38-62)58(8)9)73(70)88-50-60-33-41-64(42-34-60)56(4)5)86-48-27-29-67-28-26-30-68-69(67)77(83)92-81(68,53-82)54-91-78(84)76(79(10,11)12)80(13,14)15/h26,28,30-46,55-58,70-76,82H,16-25,47-54H2,1-15H3/t70-,71+,72+,73-,74+,75-,81-/m1/s1
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



RIKEN Advanced Science Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting

Bioorg Med Chem Lett 21: 3587-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.108
BindingDB Entry DOI: 10.7270/Q2HM58TF
More data for this
Ligand-Target Pair